3-[(E)-but-2-enoxy]azetidine

C7H13NO — CID 63104963

IUPAC3-[(E)-but-2-enoxy]azetidine
SMILESC/C=C/COC1CNC1
InChIInChI=1S/C7H13NO/c1-2-3-4-9-7-5-8-6-7/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyYYCLIMXDXGEQMO-NSCUHMNNSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds3

About 3-[(E)-but-2-enoxy]azetidine

3-[(E)-but-2-enoxy]azetidine (PubChem CID 63104963) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]azetidine.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]azetidine
PubChem CID63104963
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-[(E)-but-2-enoxy]azetidine
SMILESC/C=C/COC1CNC1
InChIInChI=1S/C7H13NO/c1-2-3-4-9-7-5-8-6-7/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyYYCLIMXDXGEQMO-NSCUHMNNSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enoxy]azetidine?
The IUPAC name of 3-[(E)-but-2-enoxy]azetidine (CID 63104963) is 3-[(E)-but-2-enoxy]azetidine.
What is the SMILES notation for 3-[(E)-but-2-enoxy]azetidine?
The canonical SMILES for 3-[(E)-but-2-enoxy]azetidine is C/C=C/COC1CNC1.
What is the InChIKey of 3-[(E)-but-2-enoxy]azetidine?
The InChIKey is YYCLIMXDXGEQMO-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-9-7-5-8-6-7/h2-3,7-8H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[(E)-but-2-enoxy]azetidine?
3-[(E)-but-2-enoxy]azetidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoxy]azetidine is sourced from PubChem (CID 63104963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).